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Alprenolol, N-methyl-, methyl ether

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Alprenolol, N-methyl-, methyl ether
SpectraBase Compound ID KQDxgZzWKgi
InChI InChI=1S/C17H27NO2/c1-6-9-15-10-7-8-11-17(15)20-13-16(19-5)12-18(4)14(2)3/h6-8,10-11,14,16H,1,9,12-13H2,2-5H3
InChIKey CPMWAIVHOZZHFS-UHFFFAOYSA-N
Mol Weight 277.41 g/mol
Molecular Formula C17H27NO2
Exact Mass 277.204179 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8Zr1GVsdcil
Name Alprenolol, N-methyl-, methyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.204179111 u
Formula C17H27NO2
InChI InChI=1S/C17H27NO2/c1-6-9-15-10-7-8-11-17(15)20-13-16(19-5)12-18(4)14(2)3/h6-8,10-11,14,16H,1,9,12-13H2,2-5H3
InChIKey CPMWAIVHOZZHFS-UHFFFAOYSA-N
Molecular Weight 277.408 g/mol
SMILES C1(=CC=CC=C1CC=C)OCC(CN(C(C)C)C)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969821